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CAS No.: | 1074-02-8 |
---|---|
Name: | 2-(METHYLSULFINYL)BENZENOL |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H8O2S |
Molecular Weight: | 156.205 |
Synonyms: | Phenol,o-(methylsulfinyl)- (7CI,8CI);2-(Methylsulfinyl)phenol; |
Density: | 1.36 g/cm3 |
Melting Point: | 118-122 °C |
Boiling Point: | 327.9 °C at 760 mmHg |
Flash Point: | 152.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Harmful/Irritant/Keep "> Xi:Harmful/Irritant/Keep |
Safety: | 26-39 |
PSA: | 56.51000 |
LogP: | 1.99530 |
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This chemical is called Phenol,2-(methylsulfinyl)-, and its systematic name is 2-(Methylsulfinyl)phenol. With the molecular formula of C7H8O2S, its molecular weight is 156.20. The CAS registry number of the chemical is 1074-02-8. Additionally, its product categories are Blocks; BuildingBlocks.
Other characteristics of Phenol,2-(methylsulfinyl)- can be summarised as followings: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.72; (8)ACD/KOC (pH 7.4): 11.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.51 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 41.78 cm3; (15)Molar Volume: 114.1 cm3; (16)Polarizability: 16.56×10-24cm3; (17)Surface Tension: 71.5 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 152.1 °C; (20)Enthalpy of Vaporization: 59.29 kJ/mol; (21)Boiling Point: 327.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000103 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(c1ccccc1O)C
2.InChI: InChI=1/C7H8O2S/c1-10(9)7-5-3-2-4-6(7)8/h2-5,8H,1H3
3.InChIKey: VMTHIQRJDDCEQD-UHFFFAOYAT
4.Std. InChI: InChI=1S/C7H8O2S/c1-10(9)7-5-3-2-4-6(7)8/h2-5,8H,1H3
5.Std. InChIKey: VMTHIQRJDDCEQD-UHFFFAOYSA-N